Florent Barbault

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Publications

Decoding Circular Dichroism Contributions in Chiral Hybrid Perovskites

Amina Alehyane , Mariagrazia Fortino , Florent Barbault , Antonio Monari , Adriana Pietropaolo

European Journal of Inorganic Chemistry, 2025, 28 (6), ⟨10.1002/ejic.202400636⟩

Article dans une revue hal-05503845v1
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Experimental and Computational Study of Injectable Iron(III)/Ultrashort Peptide Hydrogels: A Candidate for Ferroptosis‐Induced Treatment of Bacterial Infections

Capucine Loth , Florent Barbault , Cécile Guégan , Flora Lemaire , Christophe Contal et al.

Small Science, 2025, 5 (6), pp.2400618. ⟨10.1002/smsc.202400618⟩

Article dans une revue hal-05039483v1

Interaction between Yersinia pestis Ail Outer Membrane Protein and the C-Terminal Domain of Human Vitronectin

Laurine Vasseur , Florent Barbault , Antonio Monari

Journal of Physical Chemistry B, 2024, 128 (16), pp.3929-3936. ⟨10.1021/acs.jpcb.4c00965⟩

Article dans une revue hal-05371508v1
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In silico design of a solution-gated graphene transistor sensor for the efficient detection of guanine quadruplexes

Aurianne Rainot , Luisa D’anna , Alessio Terenzi , Raphael Rouget , Stéphanie Grandemange et al.

Journal of Physical Chemistry Letters, 2024, 15 (43), pp.10881-10887. ⟨10.1021/acs.jpclett.4c02796⟩

Article dans une revue hal-04761163v1
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Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA

Emma Jung-Rodriguez , Florent Barbault , Emmanuelle Bignon , Antonio Monari

Viruses, 2024, 16 (8), pp.1246. ⟨10.3390/v16081246⟩

Article dans une revue hal-04746925v1

Resolving the structure of guanine quadruplex in TMPRSS2 messenger RNA by circular dichroism and molecular modeling

Luisa D’anna , Aurane Froux , Aurianne Rainot , Angelo Spinello , Ugo Perricone et al.

Chemistry - A European Journal, 2024, 30 (71), pp.e202403572. ⟨10.1002/chem.202403572⟩

Article dans une revue hal-04761166v1
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Synthesis and preliminary anticancer evaluation of photo-responsive prodrugs of hydroxymethylene bisphosphonate alendronate

Aurélie Descamps , Philippe Arnoux , Céline Frochot , Florent Barbault , Julia Deschamp et al.

European Journal of Medicinal Chemistry, 2024, 269, ⟨10.1016/j.ejmech.2024.116307⟩

Article dans une revue hal-05591800v1
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Salt-induced Fmoc-tripeptide Supramolecular Hydrogels: A Combined Experimental and Computational Study of the Selfassembly

Miryam Criado-Gonzalez , Mario Iván Peñas , Florent Barbault , Alejandro J Müller , Fouzia Boulmedais et al.

Nanoscale, In press, ⟨10.1039/D4NR00335G⟩

Article dans une revue hal-04564018v1
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The antibacterial properties of branched peptides based on poly(l-arginine): In vitro antibacterial evaluation and molecular dynamic simulations

Lebaudy Eloïse , Lauriane Petit , Yves Nominé , Béatrice Heurtault , Inès Ben Hadj Kaddour et al.

European Journal of Medicinal Chemistry, 2024, 268, pp.116224. ⟨10.1016/j.ejmech.2024.116224⟩

Article dans une revue hal-04976730v1

Mechanism of the covalent inhibition of human transmembrane protease serine 2 as an original antiviral strategy

Angelo Spinello , Luisa D’anna , Emmanuelle Bignon , Tom Miclot , Stéphanie Grandemange et al.

Journal of Physical Chemistry B, 2023, 127 (28), pp.6287-6295. ⟨10.1021/acs.jpcb.3c02910⟩

Article dans une revue hal-04258941v1

DockSurf: A Molecular Modeling Software for the Prediction of Protein/Surface Adhesion

Florent Barbault , Eric Brémond , Julien Rey , Pierre Tufféry , François Maurel

Journal of Chemical Information and Modeling, 2023, 63 (16), pp.5220-5231. ⟨10.1021/acs.jcim.3c00569⟩

Article dans une revue hal-05591797v1
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Between two walls: Modeling the adsorption behavior of β-glucosidase A on bare and SAM-functionalised gold surfaces

Nicolas Bourassin , Florent Barbault , Marc Baaden , Sophie Sacquin-Mora

Langmuir, 2022, 38 (4), pp.1313-1323. ⟨10.1021/acs.langmuir.1c01774⟩

Article dans une revue hal-03294641v1
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Theobroma cacao improves bone growth by modulating defective ciliogenesis in a mouse model of achondroplasia

Ludovic Martin , Nabil Kaci , Catherine Benoist-Lasselin , Marine Mondoloni , Suzanne Decaudaveine et al.

Bone Research, 2022, 10 (1), pp.8. ⟨10.1038/s41413-021-00177-7⟩

Article dans une revue hal-03667757v1

Synthesis and preliminary anticancer evaluation of new triazole bisphosphonate-based isoprenoid biosynthesis inhibitors

Thibaut Legigan , Evelyne Migianu-Griffoni , Mohamed Abdenour Redouane , Aurélie Descamps , Julia Deschamp et al.

European Journal of Medicinal Chemistry, 2021, 214, pp.113241. ⟨10.1016/j.ejmech.2021.113241⟩

Article dans une revue hal-03851484v1

Computational Studies of a DNA-Based Aptasensor: toward Theory-Driven Transduction Improvement

Mario Araujo-Rocha , Benoît Piro , Vincent Noël , Florent Barbault

Journal of Physical Chemistry B, 2021, 125 (33), pp.9499-9506. ⟨10.1021/acs.jpcb.1c05341⟩

Article dans une revue hal-05591785v1
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Grafting TRAIL through Either Amino or Carboxylic Groups onto Maghemite Nanoparticles: Influence on Pro-Apoptotic Efficiency

Hanene Belkahla , Andrei Alexandru Constantinescu , Tijani Gharbi , Florent Barbault , Alexandre Chevillot-Biraud et al.

Nanomaterials, 2021, 11 (2), pp.502. ⟨10.3390/nano11020502⟩

Article dans une revue inserm-03516748v1

Theoretical and Experimental Elucidation of the Adsorption Process of a Bioinspired Peptide on Mineral Surfaces

J. Touzeau , M. Seydou , F. Maurel , L. Tallet , A. Mutschler et al.

Langmuir, 2021, 37 (38), pp.11374-11385. ⟨10.1021/acs.langmuir.1c01994⟩

Article dans une revue hal-05591788v1

First dual binder of microRNA-146a and monomeric tau: a novel approach for multitargeted therapeutics for neurodegenerative diseases

Moustafa Gabr , Florent Barbault

Chemical Communications, 2020, 56 (67), pp.9695-9698. ⟨10.1039/D0CC04249H⟩

Article dans une revue hal-05591783v1
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Computational approach and electrochemical measurements for protein detection with MIP-based sensor

Zouhour Mazouz , Meriem Mokni , Najla Fourati , Chouki Zerrouki , Florent Barbault et al.

Biosensors and Bioelectronics, 2020, 151, pp.111978. ⟨10.1016/j.bios.2019.111978⟩

Article dans une revue hal-02464043v1
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In Vitro interaction between yeast frataxin and superoxide dismutases: Influence of mitochondrial metals

Thi Hong Lien Han , Jean-Michel Camadro , Florent Barbault , Renata Santos , Jean-Michel El Hage Chahine et al.

Biochimica et Biophysica Acta (BBA) - General Subjects, 2019, 1863 (5), pp.883-892. ⟨10.1016/j.bbagen.2019.02.011⟩

Article dans une revue hal-02328345v1

Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption

Jeremy Touzeau , Florent Barbault , François Maurel , Mahamadou Seydou

Chemical Physics Letters, 2018, 713, pp.172-179. ⟨10.1016/j.cplett.2018.10.046⟩

Article dans une revue istex hal-05589197v1

Triggering the Electrolyte-Gated Organic Field-Effect Transistor output characteristics through gate functionalization using diazonium chemistry: Application to biodetection of 2,4-dichlorophenoxyacetic acid

T.T.K. Nguyen , T.N. Nguyen , G. Anquetin , S. Reisberg , V. Noël et al.

Biosensors and Bioelectronics, 2018, 113, pp.32-38. ⟨10.1016/j.bios.2018.04.051⟩

Article dans une revue istex hal-05589196v1

Molecular Dynamics Simulation of a RNA Aptasensor

Min Ruan , Mahamadou Seydou , Vincent Noel , Benoit Piro , François Maurel et al.

Journal of Physical Chemistry B, 2017, 121 (16), pp.4071-4080. ⟨10.1021/acs.jpcb.6b12544⟩

Article dans une revue hal-05589194v1

Tyrosine kinase inhibitor NVP-BGJ398 functionally improves FGFR3-related dwarfism in mouse model

Davide Komla-Ebri , Emilie Dambroise , Ina Kramer , Catherine Benoist-Lasselin , Nabil Kaci et al.

Journal of Clinical Investigation, 2016, 126 (5), pp.1871-1884. ⟨10.1172/JCI83926⟩

Article dans une revue hal-05573981v1
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Striking HIV-1 Entry by Targeting HIV-1 gp41. But, Where Should We Target?

Cátia Teixeira , Florent Barbault , Thierry Couesnon , José R B Gomes , Paula Gomes et al.

PLoS ONE, 2016, 11 (1), pp.e0146743. ⟨10.1371/journal.pone.0146743⟩

Article dans une revue hal-05589190v1

Molecular modeling study of the induced-fit effect on kinase inhibition: the case of fibroblast growth factor receptor 3 (FGFR3)

Yan Li , Michel Delamar , Patricia Busca , Guillaume Prestat , Laurent Le Corre et al.

Journal of Computer-Aided Molecular Design, 2015, 29 (7), pp.619-641. ⟨10.1007/s10822-015-9841-8⟩

Article dans une revue hal-05573984v1

Indole alkaloids from the Marquesan plant Rauvolfia nukuhivensis and their effects on ion channels

Nicolas Martin , Sara Ferreiro , Florent Barbault , Mael Nicolas , Gaël Lecellier et al.

Phytochemistry, 2015, pp.84-95. ⟨10.1016/j.phytochem.2014.10.026⟩

Article dans une revue istex hal-01100945v1

A novel small-molecule inhibitor of HIV-1 entry

Erik de Leeuw , Alonso Heredia , Olga Latinovic , Florent Barbault

Drug Design, Development and Therapy, 2015, 109, pp.5469. ⟨10.2147/DDDT.S89338⟩

Article dans une revue hal-05589182v1

Simulation with quantum mechanics/molecular mechanics for drug discovery

Florent Barbault , François Maurel

Expert Opinion on Drug Discovery, 2015, 10 (10), pp.1047-1057. ⟨10.1517/17460441.2015.1076389⟩

Article dans une revue hal-05589185v1

Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process

Yan Li , Florent Barbault , Michel Delamar , Ruisheng Zhang , Rongjing Hu

Journal of Molecular Modeling, 2013, 19 (4), pp.1651-1666. ⟨10.1007/s00894-012-1726-3⟩

Article dans une revue hal-05589097v1

A new series of Cs+, K+ and Na+ chelators: Synthesis, kinetics, thermodynamics and modeling

Alexandre Korovitch , Antoine Le Roux , Florent Barbault , Miryana Hémadi , Nguyêt-Thanh Ha-Duong et al.

Inorganica Chimica Acta, 2013, 394, pp.45-57. ⟨10.1016/j.ica.2012.08.009⟩

Article dans une revue istex hal-05027274v1

Is the conformational flexibility of piperazine derivatives important to inhibit HIV-1 replication?

Cátia Teixeira , Nawal Serradji , Souad Amroune , Karen Storck , Christine Rogez-Kreuz et al.

Journal of Molecular Graphics and Modelling, 2013, 44, pp.91-103. ⟨10.1016/j.jmgm.2013.05.003⟩

Article dans une revue istex hal-05589098v1

Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors

Florent Barbault , François Maurel

Journal of Computational Chemistry, 2012, 33 (6), pp.607-616. ⟨10.1002/jcc.21983⟩

Article dans une revue istex hal-05589096v1

A novel tyrosine kinase inhibitor restores chondrocyte differentiation and promotes bone growth in a gain-of-function Fgfr3 mouse model

Aurelie Jonquoy , Emilie Mugniery , Catherine Benoist-Lasselin , Nabil Kaci , Laurent Le Corre et al.

Human Molecular Genetics, 2012, 21 (4), pp.841-851. ⟨10.1093/hmg/ddr514⟩

Article dans une revue hal-01019795v1

Synthesis of purin-2-yl and purin-6-yl-aminoglucitols as C-nucleosidic ATP mimics and biological evaluation as FGFR3 inhibitors

Lotfi Tak-Tak , Florent Barbault , François Maurel , Patricia Busca , Yves Le Merrer

European Journal of Medicinal Chemistry, 2011, 46 (4), pp.1254-1262. ⟨10.1016/j.ejmech.2011.01.048⟩

Article dans une revue istex hal-05573988v1

Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: Brief overview one quarter of a century past the approval of zidovudine, the first anti-retroviral drug

Cátia Teixeira , José R.B. Gomes , Paula Gomes , François Maurel , Florent Barbault

European Journal of Medicinal Chemistry, 2011, 46 (4), pp.979-992. ⟨10.1016/j.ejmech.2011.01.046⟩

Article dans une revue hal-05589093v1

Diarylaniline Derivatives as a Distinct Class of HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors

Bingjie Qin , Xingkai Jiang , Hong Lu , Xingtao Tian , Florent Barbault et al.

Journal of Medicinal Chemistry, 2010, 53 (13), pp.4906-4916. ⟨10.1021/jm1002952⟩

Article dans une revue hal-05589089v1

Design of novel RNA ligands that bind stem–bulge HIV-1 TAR RNA

Maria Duca , Vincent Malnuit , Florent Barbault , Rachid Benhida

Chemical Communications, 2010, 46 (33), pp.6162. ⟨10.1039/c0cc00645a⟩

Article dans une revue istex hal-05589090v1

Receptor- and ligand-based 3D-QSAR study for a series of non-nucleoside HIV-1 reverse transcriptase inhibitors

Rongjing Hu , Florent Barbault , Michel Delamar , Ruisheng Zhang

Bioorganic and Medicinal Chemistry, 2009, 17 (6), pp.2400-2409. ⟨10.1016/j.bmc.2009.02.003⟩

Article dans une revue hal-05589085v1

Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors

C. Teixeira , N. Serradji , F. Maurel , Florent Barbault

European Journal of Medicinal Chemistry, 2009, 44 (9), pp.3524-3532. ⟨10.1016/j.ejmech.2009.03.028⟩

Article dans une revue istex hal-05589086v1

Rational design of peptides active against the Gram positive bacteria Staphylococcus aureus

Céline Landon , Florent Barbault , Michèle Legrain , Marc Guenneugues , Françoise Vovelle

Proteins - Structure, Function and Bioinformatics, 2008, 72 (1), pp.229-239. ⟨10.1002/prot.21912⟩

Article dans une revue istex hal-00283359v1

2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors

Joseph Rebehmed , Florent Barbault , Cátia Teixeira , François Maurel

Journal of Computer-Aided Molecular Design, 2008, 22 (11), pp.831-841. ⟨10.1007/s10822-008-9217-4⟩

Article dans une revue istex hal-05589078v1

Functional and Structural Characterization of the Arylamine N-Acetyltransferase from the Opportunistic Pathogen Nocardia farcinica

Marta Martins , Benjamin Pluvinage , Inès Li de la Sierra-Gallay , Florent Barbault , Julien Dairou et al.

Journal of Molecular Biology, 2008, 383 (3), pp.549-560. ⟨10.1016/j.jmb.2008.08.035⟩

Article dans une revue istex hal-05589084v1

Design, Synthesis, and Biological Evaluation of N -Carboxyphenylpyrrole Derivatives as Potent HIV Fusion Inhibitors Targeting gp41

Kun Liu , Hong Lu , Ling Hou , Zhi Qi , Cátia Teixeira et al.

Journal of Medicinal Chemistry, 2008, 51 (24), pp.7843-7854. ⟨10.1021/jm800869t⟩

Article dans une revue hal-05589082v1

Cellular interaction through LewisX cluster: theoretical studies

Yun Luo , Florent Barbault , Chafika Gourmala , Yongmin Zhang , François Maurel et al.

Journal of Molecular Modeling, 2008, 14 (10), pp.901-910. ⟨10.1007/s00894-008-0325-9⟩

Article dans une revue istex hal-05589080v1

Molecular modeling studies of N-substituted pyrrole derivatives—Potential HIV-1 gp41 inhibitors

Cátia Teixeira , Florent Barbault , Joseph Rebehmed , Kun Liu , Lan Xie et al.

Bioorganic and Medicinal Chemistry, 2008, 16 (6), pp.3039-3048. ⟨10.1016/j.bmc.2007.12.034⟩

Article dans une revue istex hal-05589077v1

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site

Florent Barbault , Bo Ren , Joseph Rebehmed , Catia Teixeira , Yun Luo et al.

European Journal of Medicinal Chemistry, 2008, 43 (8), pp.1648-1656. ⟨10.1016/j.ejmech.2007.10.022⟩

Article dans une revue istex hal-05588993v1

Nonlinear SVM Approaches to QSPR/QSAR Studies and Drug Design

Jean-Pierre Doucet , Florent Barbault , Hairong Xia , Annick Panaye , Botao Fan

Current Computer Aided-Drug Design, 2007, 3 (4), pp.263-289. ⟨10.2174/157340907782799372⟩

Article dans une revue hal-05587592v1

Elucidation of the LewisX–LewisX carbohydrate interaction with molecular dynamics simulations: A glycosynapse model

Chafika Gourmala , Yun Luo , Florent Barbault , Yongmin Zhang , Saïd Ghalem et al.

Journal of Molecular Structure: THEOCHEM, 2007, 821 (1-3), pp.22-29. ⟨10.1016/j.theochem.2007.06.027⟩

Article dans une revue istex hal-05587598v1
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Total synthesis of 4d-deoxy Lewisx pentasaccharide

Yun Luo , Dengxiang Dong , Florent Barbault , Botao Fan , Yongzhou Hu et al.

Comptes Rendus. Chimie, 2007, 11, pp.29 - 37. ⟨10.1016/j.crci.2007.03.009⟩

Article dans une revue hal-05588990v1

First synthesis of two deoxy Lewisx pentaosyl glycosphingolipids

Yun Luo , Chafika Gourmala , Dengxiang Dong , Florent Barbault , Botao Fan et al.

Glycoconjugate Journal, 2007, 25 (4), pp.335-344. ⟨10.1007/s10719-007-9077-5⟩

Article dans une revue istex hal-05589075v1

Elucidation of chiral recognition processes of macrocyclic antibiotic vancomycin

C. Bauvais , Florent Barbault , Y. Zhu , M. Petitjean , B. Fan

SAR and QSAR in Environmental Research, 2006, 17 (3), pp.253-264. ⟨10.1080/10659360600787783⟩

Article dans une revue hal-05587580v1

Parametrization of a specific free energy function for automated docking against RNA targets using neural networks

Florent Barbault , Liangren Zhang , Lihe Zhang , Bo Tao Fan

Chemometrics and Intelligent Laboratory Systems, 2006, 82 (1-2), pp.269-275. ⟨10.1016/j.chemolab.2005.05.014⟩

Article dans une revue istex hal-05587573v1

NMR Solution Structure of the Archaebacterial Chromosomal Protein MC1 Reveals a New Protein Fold ‡

Françoise Paquet , Françoise Culard , Florent Barbault , Jean-Claude Maurizot , Gérard Lancelot

Biochemistry, 2004, 43 (47), pp.14971-14978. ⟨10.1021/bi048382z⟩

Article dans une revue istex hal-02121481v1
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Le calcul du déplacement chimique, un outil de validation des structures d'acides nucléiques

Florent Barbault , Gérard Lancelot

Comptes rendus hebdomadaires des séances de l’Académie des sciences. Série B, Sciences physiques, 2001

Article dans une revue hal-02164980v1